Development and evaluation of a QSPR model for the prediction of diamagnetic susceptibility

QSAR and Combinatorial Science

Volumn 27, Issue 4, 2008, Pages 432-436

  Afantitis, Antreas ^a,b,c,d   Melagraki, Georgia ^a,b,c,d   Sarimveis, Haralambos ^a   Koutentis, Panayiotis A ^d   Markopoulos, John ^e   Igglessi Markopoulou, Olga ^a  

^a NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

^b NOVAMECHANICS LTD   (Cyprus)

^c Cyano Research Corporation Ltd   (Cyprus)

^d UNIVERSITY OF CYPRUS   (Cyprus)

^e UNIVERSITY OF ATHENS   (Greece)

Author keywords

Aromaticity; Diamagnetic susceptibility; QSAR; QSPR

Indexed keywords

COMPUTATIONAL CHEMISTRY;

AROMATICITIES; DIAMAGNETIC SUSCEPTIBILITY; LEAVE ONE OUT; LINEAR REGRESSION TECHNIQUES; MULTIPLE LINEAR REGRESSIONS; QSAR; QSPR; QSPR MODEL; TEST SETS; TOPOLOGICAL DESCRIPTORS;

MULTIPLE LINEAR REGRESSION;

ORGANIC COMPOUND;

ACCURACY; ARTICLE; CHEMICAL STRUCTURE; COMPUTER PREDICTION; CONTROLLED STUDY; MAGNETISM; MULTIPLE LINEAR REGRESSION ANALYSIS; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS;

EID: 54949124602     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200730083     Document Type: Article

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